(2S)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone

C25H33N3O4 — CID 30624445

IUPAC(2S)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone
SMILESCOc1ccc(OCCN2CCN([C@H](C(=O)N3CCOCC3)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H33N3O4/c1-30-22-7-9-23(10-8-22)32-20-15-26-11-13-27(14-12-26)24(21-5-3-2-4-6-21)25(29)28-16-18-31-19-17-28/h2-10,24H,11-20H2,1H3/t24-/m0/s1
InChIKeyWHNJTDQPNCCRBQ-DEOSSOPVSA-N
MW439.56 g/mol
LogP2.29
Rot. Bonds8

About (2S)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone

(2S)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone (PubChem CID 30624445) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is (2S)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone.

Molecular Properties

Compound Name(2S)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone
PubChem CID30624445
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC Name(2S)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone
SMILESCOc1ccc(OCCN2CCN([C@H](C(=O)N3CCOCC3)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H33N3O4/c1-30-22-7-9-23(10-8-22)32-20-15-26-11-13-27(14-12-26)24(21-5-3-2-4-6-21)25(29)28-16-18-31-19-17-28/h2-10,24H,11-20H2,1H3/t24-/m0/s1
InChIKeyWHNJTDQPNCCRBQ-DEOSSOPVSA-N
XLogP2.29
TPSA54.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone with MolForge

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Related Compounds

1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415
1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride
CID 6603248
1-(4-ethylpiperazin-1-yl)-2-morpholin-4-yl-2-phenylethanone
CID 135224933
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenyl-1-piperidin-1-ylethanone
CID 55412944
1-(4-methoxyphenyl)-2-morpholin-4-yl-2-phenylethanone
CID 644374
1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 113074785
[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110638166
(2S)-1-morpholin-4-yl-2-phenyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 30955979
1-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-ylpiperazine
CID 47010456
(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]propan-1-one
CID 9357373
2-(4-hydroxypiperidin-1-yl)-1-morpholin-4-yl-2-phenylethanone
CID 42886214
(2-hydroxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 31281275

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone?
The IUPAC name of (2S)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone (CID 30624445) is (2S)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone.
What is the SMILES notation for (2S)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone?
The canonical SMILES for (2S)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone is COc1ccc(OCCN2CCN([C@H](C(=O)N3CCOCC3)c3ccccc3)CC2)cc1.
What is the InChIKey of (2S)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone?
The InChIKey is WHNJTDQPNCCRBQ-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-30-22-7-9-23(10-8-22)32-20-15-26-11-13-27(14-12-26)24(21-5-3-2-4-6-21)25(29)28-16-18-31-19-17-28/h2-10,24H,11-20H2,1H3/t24-/m0/s1.
What are the key properties of (2S)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone?
(2S)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone has a molecular weight of 439.56 g/mol, XLogP of 2.29, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone is sourced from PubChem (CID 30624445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).